Drug Information| Drug ID: | NPD1608 |
| Drug Name: | Fenoprofen |
| Molecular Formula: | C15H14O3 |
| Canonical SMILES: | OC(=O)C(c1cccc(c1)Oc1ccccc1)C |
| Standard InCHI: | "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)" |
| Standard InCHIKey: | RDJGLLICXDHJDY-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 4 |
| Max Developmental Stage Source: | TTD; ChEMBL; IUPHAR/BPS |
Structural Similarity Between NPASS Natural Products and NPD1608Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| Remote Similarity | 0.5556 | NPC322387 |
| Molecular Weight | 242.09 |
| ALogP | -0.0991 |
| MLogP | 2.78 |
| XLogP | 4.628 |
| HDA | 2 |
| HBD | 1 |
| Rotatable Bonds | 6 |
| TPSA | 46.53 |
| RO5 Violation | 0 |